1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile

C14H15N3O — CID 100642986

IUPAC1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile
SMILESN#Cc1nn([C@@H]2CCCC[C@@H]2O)c2ccccc12
InChIInChI=1S/C14H15N3O/c15-9-11-10-5-1-2-6-12(10)17(16-11)13-7-3-4-8-14(13)18/h1-2,5-6,13-14,18H,3-4,7-8H2/t13-,14+/m1/s1
InChIKeyFWDHIEBPHBBROU-KGLIPLIRSA-N
MW241.29 g/mol
LogP2.38
Rot. Bonds1

About 1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile

1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile (PubChem CID 100642986) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile
PubChem CID100642986
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile
SMILESN#Cc1nn([C@@H]2CCCC[C@@H]2O)c2ccccc12
InChIInChI=1S/C14H15N3O/c15-9-11-10-5-1-2-6-12(10)17(16-11)13-7-3-4-8-14(13)18/h1-2,5-6,13-14,18H,3-4,7-8H2/t13-,14+/m1/s1
InChIKeyFWDHIEBPHBBROU-KGLIPLIRSA-N
XLogP2.38
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4,5-dicarbonitrile
CID 102732435
1-[(1R,2R)-2-hydroxycyclohexyl]imidazole-4,5-dicarbonitrile
CID 102732433
1-nitrosoindazole-3-carbonitrile
CID 119095189
1-benzoylindazole-3-carbonitrile
CID 71818548
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-3-carbonitrile
CID 99782830
4-(3-cyanoindazol-1-yl)benzoic acid
CID 16678790
cis-(1R,2S)-3-carbazol-9-ylcycloheptane-1,2-diol
CID 140895217
3-carbazol-9-ylcycloheptane-1,2-diol
CID 126531025
3-carbazol-9-ylcyclohexane-1,2-diol
CID 123529337
2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile
CID 63638253
1-[(4-morpholin-4-ylphenyl)methyl]indazole-3-carbonitrile
CID 167857772
1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile
CID 174925318

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile?
The IUPAC name of 1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile (CID 100642986) is 1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile?
The canonical SMILES for 1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile is N#Cc1nn([C@@H]2CCCC[C@@H]2O)c2ccccc12.
What is the InChIKey of 1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile?
The InChIKey is FWDHIEBPHBBROU-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H15N3O/c15-9-11-10-5-1-2-6-12(10)17(16-11)13-7-3-4-8-14(13)18/h1-2,5-6,13-14,18H,3-4,7-8H2/t13-,14+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile?
1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-hydroxycyclohexyl]indazole-3-carbonitrile is sourced from PubChem (CID 100642986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).